BDBM50421088 CHEMBL2087851

SMILES: Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C3CC3)c(=O)c12

InChI Key: InChIKey=MQIWUOJGLGRHGX-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50421088   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glutamate racemase (Helicobacter pylori J99)	BDBM50421088 (CHEMBL2087851) Show SMILES Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C3CC3)c(=O)c12 |(14.08,-41.22,;15.58,-41.57,;16.75,-40.56,;18.07,-41.35,;17.72,-42.85,;16.18,-42.99,;15.39,-44.3,;16.29,-45.55,;17.83,-45.55,;18.6,-46.89,;17.83,-48.21,;18.6,-49.55,;20.14,-49.55,;20.91,-48.2,;22.44,-48.19,;23.2,-46.87,;22.42,-45.54,;23.18,-44.2,;20.89,-45.55,;20.14,-46.88,;15.39,-46.8,;13.92,-46.32,;12.59,-47.08,;12.59,-48.62,;11.26,-49.39,;9.72,-49.4,;10.49,-50.73,;11.26,-46.32,;9.93,-47.09,;11.26,-44.78,;9.93,-44.01,;9.15,-42.69,;8.38,-44.02,;12.59,-44,;12.59,-42.46,;13.92,-44.78,)| Show InChI InChI=1S/C26H24ClN7O2/c1-31-14-28-11-21(31)23-22-24(32(12-15-2-3-15)26(36)34(25(22)35)18-5-6-18)30-33(23)13-16-8-9-29-20-7-4-17(27)10-19(16)20/h4,7-11,14-15,18H,2-3,5-6,12-13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori J99 glutamate racemase				Bioorg Med Chem Lett 22: 5600-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.004 BindingDB Entry DOI: 10.7270/Q2NZ88XM
					More data for this Ligand-Target Pair